5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H19N3O3S — CID 51118082

IUPAC5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H19N3O3S/c1-11(13-5-7-15-14(10-13)6-8-17(24)22-15)21-19(25)18-12(2)26-20(23-18)16-4-3-9-27-16/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDJKOADPGKNWBIT-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.09
Rot. Bonds4

About 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 51118082) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID51118082
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H19N3O3S/c1-11(13-5-7-15-14(10-13)6-8-17(24)22-15)21-19(25)18-12(2)26-20(23-18)16-4-3-9-27-16/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDJKOADPGKNWBIT-UHFFFAOYSA-N
XLogP4.09
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide
CID 52535684
3,6-dimethyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118084
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
5-(2-fluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 119041127
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 95157748
2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 94524387
1-(4-chlorophenyl)-5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 78890854

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 51118082) is 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is DJKOADPGKNWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11(13-5-7-15-14(10-13)6-8-17(24)22-15)21-19(25)18-12(2)26-20(23-18)16-4-3-9-27-16/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51118082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).